2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid

C6H10F3NO4S — CID 79793310

IUPAC2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid
SMILESCCC(C)(NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO4S/c1-3-5(2,4(11)12)10-15(13,14)6(7,8)9/h10H,3H2,1-2H3,(H,11,12)
InChIKeyABJCNAASRFDHHO-UHFFFAOYSA-N
MW249.21 g/mol
LogP0.68
Rot. Bonds4

About 2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid

2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid (PubChem CID 79793310) has the molecular formula C6H10F3NO4S and a molecular weight of 249.21 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid
PubChem CID79793310
Molecular FormulaC6H10F3NO4S
Molecular Weight249.21 g/mol
Exact Mass249.03
IUPAC Name2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid
SMILESCCC(C)(NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO4S/c1-3-5(2,4(11)12)10-15(13,14)6(7,8)9/h10H,3H2,1-2H3,(H,11,12)
InChIKeyABJCNAASRFDHHO-UHFFFAOYSA-N
XLogP0.68
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-N-[(trifluoromethyl)sulfonyl]alanine
CID 23236625
2-Methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propanoic acid
CID 23236626
3-Methyl-2-(trifluoromethylsulfonylamino)butanoic acid
CID 22359370
((Trifluoromethyl)sulfonyl)-L-valine
CID 54356532
(2S)-2-(trifluoromethylsulfonylamino)butanoic acid
CID 81671204
(2S)-2-amino-3-methylbutanoic acid;trifluoromethanesulfonic acid
CID 87148153
(2S)-2-amino-3-methylbutanoic acid;trifluoromethanesulfonamide
CID 88453816
3-Methyl-3-(trifluoromethylsulfonylamino)butanoic acid
CID 18630336
(2R)-2-(difluoromethylsulfonylamino)-3-methylbutanoic acid
CID 28606732
(2S)-2-(difluoromethylsulfonylamino)-3-methylbutanoic acid
CID 28606738
2-(Difluoromethylsulfonylamino)-3-methylbutanoic acid
CID 43200283
3,3-Dimethyl-2-(trifluoromethylsulfonylamino)butanoic acid
CID 43468112

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid?
The IUPAC name of 2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid (CID 79793310) is 2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid.
What is the SMILES notation for 2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid?
The canonical SMILES for 2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid is CCC(C)(NS(=O)(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid?
The InChIKey is ABJCNAASRFDHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO4S/c1-3-5(2,4(11)12)10-15(13,14)6(7,8)9/h10H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid?
2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid has a molecular weight of 249.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethylsulfonylamino)butanoic acid is sourced from PubChem (CID 79793310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).